(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid

C6H15N3O3 — CID 118054974

IUPAC(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
SMILESNC(O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H15N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4,6,9,12H,1-3,7-8H2,(H,10,11)/t4-,6?/m0/s1
InChIKeyAMEYCIFSOHYXKZ-VKZKZBKNSA-N
MW177.20 g/mol
LogP-2.00
Rot. Bonds6

About (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid

(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid (PubChem CID 118054974) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
PubChem CID118054974
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
SMILESNC(O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H15N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4,6,9,12H,1-3,7-8H2,(H,10,11)/t4-,6?/m0/s1
InChIKeyAMEYCIFSOHYXKZ-VKZKZBKNSA-N
XLogP-2.00
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid
CID 162862984
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid (CID 118054974) is (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid is NC(O)NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid?
The InChIKey is AMEYCIFSOHYXKZ-VKZKZBKNSA-N. The full InChI is InChI=1S/C6H15N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4,6,9,12H,1-3,7-8H2,(H,10,11)/t4-,6?/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid?
(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid has a molecular weight of 177.20 g/mol, XLogP of -2.00, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid is sourced from PubChem (CID 118054974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).