(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid

C11H22N4O5 — CID 54043745

IUPAC(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid
SMILESCCOCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C11H22N4O5/c1-2-19-6-7-20-11(18)15-8(9(16)17)4-3-5-14-10(12)13/h8H,2-7H2,1H3,(H,15,18)(H,16,17)(H4,12,13,14)/t8-/m0/s1
InChIKeyLODCYPNLYLHKLP-QMMMGPOBSA-N
MW290.32 g/mol
LogP-0.74
Rot. Bonds10

About (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid

(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid (PubChem CID 54043745) has the molecular formula C11H22N4O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid
PubChem CID54043745
Molecular FormulaC11H22N4O5
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid
SMILESCCOCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C11H22N4O5/c1-2-19-6-7-20-11(18)15-8(9(16)17)4-3-5-14-10(12)13/h8H,2-7H2,1H3,(H,15,18)(H,16,17)(H4,12,13,14)/t8-/m0/s1
InChIKeyLODCYPNLYLHKLP-QMMMGPOBSA-N
XLogP-0.74
TPSA149.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate;hydrochloride
CID 2729004
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
CID 175772240
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
(2S)-5-(diaminomethylideneamino)-2-(phenoxycarbonylamino)pentanoic acid
CID 146472259
5-(diaminomethylideneamino)-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3833495
5-(diaminomethylideneamino)-2-[2-[2-[6-(dimethylamino)purin-9-yl]ethoxy]ethoxycarbonylamino]pentanoic acid
CID 54559083
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid
CID 7077354
5-(diaminomethylideneamino)-2-[[3-[2-(1-ethoxypropan-2-yloxy)ethoxy]-2-hydroxypropyl]amino]pentanoic acid
CID 59610079
acetic acid;(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 90473494
(2S)-5-(diaminomethylideneamino)-2-[[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]acetyl]amino]pentanoic acid
CID 101380663
(2S)-5-(diaminomethylideneamino)-2-(oxaldehydoylamino)pentanoic acid
CID 173147392

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid (CID 54043745) is (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid is CCOCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid?
The InChIKey is LODCYPNLYLHKLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N4O5/c1-2-19-6-7-20-11(18)15-8(9(16)17)4-3-5-14-10(12)13/h8H,2-7H2,1H3,(H,15,18)(H,16,17)(H4,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid?
(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of -0.74, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 54043745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).