methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride

C9H19ClN2O3 — CID 90021490

IUPACmethyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride
SMILESCC[C@H](C)[C@H](NC(=O)CN)C(=O)OC.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-4-6(2)8(9(13)14-3)11-7(12)5-10;/h6,8H,4-5,10H2,1-3H3,(H,11,12);1H/t6-,8-;/m0./s1
InChIKeyNVEVDWFQRWEDTI-QMGYSKNISA-N
MW238.71 g/mol
LogP0.07
Rot. Bonds5

About methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride

methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride (PubChem CID 90021490) has the molecular formula C9H19ClN2O3 and a molecular weight of 238.71 g/mol. Its IUPAC name is methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride
PubChem CID90021490
Molecular FormulaC9H19ClN2O3
Molecular Weight238.71 g/mol
Exact Mass238.11
IUPAC Namemethyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride
SMILESCC[C@H](C)[C@H](NC(=O)CN)C(=O)OC.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-4-6(2)8(9(13)14-3)11-7(12)5-10;/h6,8H,4-5,10H2,1-3H3,(H,11,12);1H/t6-,8-;/m0./s1
InChIKeyNVEVDWFQRWEDTI-QMGYSKNISA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride?
The IUPAC name of methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride (CID 90021490) is methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride.
What is the SMILES notation for methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride?
The canonical SMILES for methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride is CC[C@H](C)[C@H](NC(=O)CN)C(=O)OC.Cl.
What is the InChIKey of methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride?
The InChIKey is NVEVDWFQRWEDTI-QMGYSKNISA-N. The full InChI is InChI=1S/C9H18N2O3.ClH/c1-4-6(2)8(9(13)14-3)11-7(12)5-10;/h6,8H,4-5,10H2,1-3H3,(H,11,12);1H/t6-,8-;/m0./s1.
What are the key properties of methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride?
methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride has a molecular weight of 238.71 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate;hydrochloride is sourced from PubChem (CID 90021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).