CID 164753988

C9H18NO2 — CID 164753988

IUPAC—
SMILES[CH2]C(C)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C9H18NO2/c1-6(2)5-8(10)9(11)12-7(3)4/h6-8H,3,5,10H2,1-2,4H3/t7?,8-/m0/s1
InChIKeyVRSAAAKIZZNMMD-MQWKRIRWSA-N
MW172.25 g/mol
LogP1.13
Rot. Bonds4

About CID 164753988

CID 164753988 (PubChem CID 164753988) has the molecular formula C9H18NO2 and a molecular weight of 172.25 g/mol.

Molecular Properties

Compound NameCID 164753988
PubChem CID164753988
Molecular FormulaC9H18NO2
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name—
SMILES[CH2]C(C)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C9H18NO2/c1-6(2)5-8(10)9(11)12-7(3)4/h6-8H,3,5,10H2,1-2,4H3/t7?,8-/m0/s1
InChIKeyVRSAAAKIZZNMMD-MQWKRIRWSA-N
XLogP1.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
2-methylprop-2-enoyl (2S)-2-amino-4-methylpentanoate
CID 175101609
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659

Frequently Asked Questions

What is the IUPAC name of CID 164753988?
The IUPAC name of CID 164753988 (CID 164753988) is not available.
What is the SMILES notation for CID 164753988?
The canonical SMILES for CID 164753988 is [CH2]C(C)OC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of CID 164753988?
The InChIKey is VRSAAAKIZZNMMD-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18NO2/c1-6(2)5-8(10)9(11)12-7(3)4/h6-8H,3,5,10H2,1-2,4H3/t7?,8-/m0/s1.
What are the key properties of CID 164753988?
CID 164753988 has a molecular weight of 172.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164753988 is sourced from PubChem (CID 164753988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).