2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride

C8H18ClN5O3 — CID 133113849

IUPAC2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
SMILESCl.NC(N)=NCCC[C@@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C8H17N5O3.ClH/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15;/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12);1H/t5-;/m1./s1
InChIKeyLBJDXUKLQUTBSV-NUBCRITNSA-N
MW267.72 g/mol
LogP-2.01
Rot. Bonds7

About 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride

2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride (PubChem CID 133113849) has the molecular formula C8H18ClN5O3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
PubChem CID133113849
Molecular FormulaC8H18ClN5O3
Molecular Weight267.72 g/mol
Exact Mass267.11
IUPAC Name2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
SMILESCl.NC(N)=NCCC[C@@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C8H17N5O3.ClH/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15;/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12);1H/t5-;/m1./s1
InChIKeyLBJDXUKLQUTBSV-NUBCRITNSA-N
XLogP-2.01
TPSA156.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101098394
2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 18218795
2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 145456579
2-[[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 18240548
2-[[2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 18242933
2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 45279083
2-amino-5-(diaminomethylideneamino)-N-(2-methylprop-2-enyl)pentanamide;hydron;chloride
CID 90457141
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
(3S)-3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 175947967
2-[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]acetic acid
CID 22651691

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride (CID 133113849) is 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride is Cl.NC(N)=NCCC[C@@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride?
The InChIKey is LBJDXUKLQUTBSV-NUBCRITNSA-N. The full InChI is InChI=1S/C8H17N5O3.ClH/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15;/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12);1H/t5-;/m1./s1.
What are the key properties of 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride?
2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of -2.01, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 133113849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).