(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid

C10H21N3O3 — CID 175695979

IUPAC(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](CCCCCN)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-7(12)9(14)13-8(10(15)16)5-3-2-4-6-11/h7-8H,2-6,11-12H2,1H3,(H,13,14)(H,15,16)/t7-,8-/m0/s1
InChIKeyYLBDYLTUMMJFFW-YUMQZZPRSA-N
MW231.30 g/mol
LogP-0.58
Rot. Bonds8

About (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid

(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid (PubChem CID 175695979) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid.

Molecular Properties

Compound Name(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
PubChem CID175695979
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](CCCCCN)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-7(12)9(14)13-8(10(15)16)5-3-2-4-6-11/h7-8H,2-6,11-12H2,1H3,(H,13,14)(H,15,16)/t7-,8-/m0/s1
InChIKeyYLBDYLTUMMJFFW-YUMQZZPRSA-N
XLogP-0.58
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
CID 18232813
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 134824866
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 122211018
2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]butanedioic acid
CID 18218444
6-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
CID 18239260
6-amino-2-[[4-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
CID 18233426
6-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 18218297
6-amino-2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 18237051
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
CID 145453607
2-[[6-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
CID 18236775
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171

Frequently Asked Questions

What is the IUPAC name of (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid?
The IUPAC name of (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid (CID 175695979) is (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid.
What is the SMILES notation for (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid?
The canonical SMILES for (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid is C[C@H](N)C(=O)N[C@@H](CCCCCN)C(=O)O.
What is the InChIKey of (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid?
The InChIKey is YLBDYLTUMMJFFW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(12)9(14)13-8(10(15)16)5-3-2-4-6-11/h7-8H,2-6,11-12H2,1H3,(H,13,14)(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid?
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid is sourced from PubChem (CID 175695979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).