[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid

C10H21N3O4 — CID 135324641

IUPAC[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid
SMILESCC(C)C(CCC(CN)NC(=O)O)NC(=O)O
InChIInChI=1S/C10H21N3O4/c1-6(2)8(13-10(16)17)4-3-7(5-11)12-9(14)15/h6-8,12-13H,3-5,11H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyILVPNUSYAMTYFH-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.65
Rot. Bonds7

About [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid

[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid (PubChem CID 135324641) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid
PubChem CID135324641
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid
SMILESCC(C)C(CCC(CN)NC(=O)O)NC(=O)O
InChIInChI=1S/C10H21N3O4/c1-6(2)8(13-10(16)17)4-3-7(5-11)12-9(14)15/h6-8,12-13H,3-5,11H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyILVPNUSYAMTYFH-UHFFFAOYSA-N
XLogP0.65
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
(1-chlorosulfonyl-3-methylbutan-2-yl)carbamic acid
CID 18694097
ethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 62314871
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
CID 106349751
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
N-(1-amino-4-methylpentan-3-yl)-2-methylbutanamide
CID 106356922
N-(1-aminopentan-2-yl)-2,2-difluoroacetamide
CID 103514193
tert-butyl N-[(6S)-6,7-diamino-2-methylheptan-3-yl]carbamate
CID 130381371
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695

Frequently Asked Questions

What is the IUPAC name of [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid?
The IUPAC name of [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid (CID 135324641) is [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid.
What is the SMILES notation for [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid?
The canonical SMILES for [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid is CC(C)C(CCC(CN)NC(=O)O)NC(=O)O.
What is the InChIKey of [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid?
The InChIKey is ILVPNUSYAMTYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-6(2)8(13-10(16)17)4-3-7(5-11)12-9(14)15/h6-8,12-13H,3-5,11H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid?
[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid has a molecular weight of 247.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid is sourced from PubChem (CID 135324641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).