(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide

C10H18N4O3 — CID 67476534

IUPAC(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H]1CCN([C@@H](C)C(N)=O)C1=O
InChIInChI=1S/C10H18N4O3/c1-5(11)9(16)13-7-3-4-14(10(7)17)6(2)8(12)15/h5-7H,3-4,11H2,1-2H3,(H2,12,15)(H,13,16)/t5-,6-,7+/m0/s1
InChIKeyNBVSDVCJCILVRJ-LYFYHCNISA-N
MW242.28 g/mol
LogP-2.08
Rot. Bonds4

About (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide

(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 67476534) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide
PubChem CID67476534
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H]1CCN([C@@H](C)C(N)=O)C1=O
InChIInChI=1S/C10H18N4O3/c1-5(11)9(16)13-7-3-4-14(10(7)17)6(2)8(12)15/h5-7H,3-4,11H2,1-2H3,(H2,12,15)(H,13,16)/t5-,6-,7+/m0/s1
InChIKeyNBVSDVCJCILVRJ-LYFYHCNISA-N
XLogP-2.08
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide (CID 67476534) is (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide is C[C@H](N)C(=O)N[C@@H]1CCN([C@@H](C)C(N)=O)C1=O.
What is the InChIKey of (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is NBVSDVCJCILVRJ-LYFYHCNISA-N. The full InChI is InChI=1S/C10H18N4O3/c1-5(11)9(16)13-7-3-4-14(10(7)17)6(2)8(12)15/h5-7H,3-4,11H2,1-2H3,(H2,12,15)(H,13,16)/t5-,6-,7+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide?
(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 242.28 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 67476534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).