(2R)-2,6-bis(carbamoylamino)hexanoic acid

C8H16N4O4 — CID 2512815

IUPAC(2R)-2,6-bis(carbamoylamino)hexanoic acid
SMILESNC(=O)NCCCC[C@@H](NC(N)=O)C(=O)O
InChIInChI=1S/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16)/t5-/m1/s1
InChIKeyMIKBDBZLKXLZTM-RXMQYKEDSA-N
MW232.24 g/mol
LogP-1.05
Rot. Bonds7

About (2R)-2,6-bis(carbamoylamino)hexanoic acid

(2R)-2,6-bis(carbamoylamino)hexanoic acid (PubChem CID 2512815) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-2,6-bis(carbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-2,6-bis(carbamoylamino)hexanoic acid
PubChem CID2512815
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Name(2R)-2,6-bis(carbamoylamino)hexanoic acid
SMILESNC(=O)NCCCC[C@@H](NC(N)=O)C(=O)O
InChIInChI=1S/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16)/t5-/m1/s1
InChIKeyMIKBDBZLKXLZTM-RXMQYKEDSA-N
XLogP-1.05
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2,6-bis(carbamoylamino)hexanoic 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

(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2S)-2,6-bis(carbamoylamino)hexanoate
CID 2512810
(2S)-5-(carbamoylamino)-2-(propanoylamino)pentanoic acid
CID 87631633
(2S)-6-(carbamoylamino)-2-(phosphonomethylamino)hexanoic acid
CID 25153969
2,6-bis(carboxyamino)hexanoic acid
CID 23574348
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
CID 175894860
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128
(2S)-5-(carbamoylamino)-2-(tricosanoylamino)pentanoic acid
CID 171116714
(2S)-5-(carbamoylamino)-2-(octanoylamino)pentanoic acid
CID 22865601
(2S)-5-[[8-(butylamino)-8-oxooctyl]amino]-2-(carbamoylamino)pentanoic acid
CID 139318625
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-5-(carbamoylamino)pentanoic acid
CID 175845382

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-bis(carbamoylamino)hexanoic acid?
The IUPAC name of (2R)-2,6-bis(carbamoylamino)hexanoic acid (CID 2512815) is (2R)-2,6-bis(carbamoylamino)hexanoic acid.
What is the SMILES notation for (2R)-2,6-bis(carbamoylamino)hexanoic acid?
The canonical SMILES for (2R)-2,6-bis(carbamoylamino)hexanoic acid is NC(=O)NCCCC[C@@H](NC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2,6-bis(carbamoylamino)hexanoic acid?
The InChIKey is MIKBDBZLKXLZTM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H16N4O4/c9-7(15)11-4-2-1-3-5(6(13)14)12-8(10)16/h5H,1-4H2,(H,13,14)(H3,9,11,15)(H3,10,12,16)/t5-/m1/s1.
What are the key properties of (2R)-2,6-bis(carbamoylamino)hexanoic acid?
(2R)-2,6-bis(carbamoylamino)hexanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.05, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-bis(carbamoylamino)hexanoic acid is sourced from PubChem (CID 2512815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).