2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid

C16H24N2O4 — CID 18603240

IUPAC2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid
SMILESCC(C)C[C@@H](CNCC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-12(2)8-14(9-17-10-15(19)20)18-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyFNWBCPCJHDMORA-AWEZNQCLSA-N
MW308.38 g/mol
LogP2.00
Rot. Bonds9

About 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid

2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid (PubChem CID 18603240) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid
PubChem CID18603240
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid
SMILESCC(C)C[C@@H](CNCC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-12(2)8-14(9-17-10-15(19)20)18-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyFNWBCPCJHDMORA-AWEZNQCLSA-N
XLogP2.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
benzyl N-(1-formamido-4-methylpentan-2-yl)carbamate
CID 139240042
benzyl N-(2-methyl-6-oxoheptan-4-yl)carbamate
CID 11780822
benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
CID 67715838
benzyl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentyl]amino]acetate
CID 118409408
benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate
CID 23316640
benzyl N-[(3S)-5-methyl-1-methylsulfonylhexan-3-yl]carbamate
CID 70795374
[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
CID 10664127
5-methyl-3-(phenylmethoxycarbonylaminomethyl)hexanoic acid
CID 65495181
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
benzyl N-[4-methyl-1-[(4-methylsulfinyl-3-oxo-1-phenylbutan-2-yl)amino]pentan-2-yl]carbamate
CID 70049941

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid (CID 18603240) is 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid is CC(C)C[C@@H](CNCC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid?
The InChIKey is FNWBCPCJHDMORA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(2)8-14(9-17-10-15(19)20)18-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid?
2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid has a molecular weight of 308.38 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid is sourced from PubChem (CID 18603240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).