(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid

C10H18N2O4 — CID 90090745

IUPAC(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
SMILESN[C@@H](CCCCNC(=O)OC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-8(9(13)14)3-1-2-6-12-10(15)16-7-4-5-7/h7-8H,1-6,11H2,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyIGFPYKOTQYKGJN-QMMMGPOBSA-N
MW230.26 g/mol
LogP0.46
Rot. Bonds7

About (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid

(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid (PubChem CID 90090745) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
PubChem CID90090745
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
SMILESN[C@@H](CCCCNC(=O)OC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-8(9(13)14)3-1-2-6-12-10(15)16-7-4-5-7/h7-8H,1-6,11H2,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyIGFPYKOTQYKGJN-QMMMGPOBSA-N
XLogP0.46
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-(cyclopropyloxycarbonylamino)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

bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[[(1S,2E)-cyclooct-2-en-1-yl]oxycarbonylamino]hexanoic acid
CID 78582603
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
cyclopropyl N-butylcarbamate
CID 165447718
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
CID 87631740
(2S)-2-amino-6-(spiro[2.3]hex-1-en-5-ylmethoxycarbonylamino)hexanoic acid
CID 137464720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid (CID 90090745) is (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid is N[C@@H](CCCCNC(=O)OC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid?
The InChIKey is IGFPYKOTQYKGJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-8(9(13)14)3-1-2-6-12-10(15)16-7-4-5-7/h7-8H,1-6,11H2,(H,12,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid?
(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid is sourced from PubChem (CID 90090745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).